Paket: mopac (23.1.2-1)
mopac için bağlantılar
Debian Kaynakları:
- Hata Raporları
- Developer Information
- Debian Değişim Günlüğü
- Telif Hakkı Dosyası
- Debian Yama Takipçisi
mopac Kaynak Paketini İndir:
Geliştiriciler:
Dış Kaynaklar:
- Ana Sayfa [openmopac.net]
Benzer paketler:
Molecular Orbital PACkage (MOPAC)
MOPAC is a general-purpose semiempirical molecular orbital package for the study of solid state and molecular structures and reactions.
The semiempirical Hamiltonians MNDO, AM1, PM3, PM6, RM1, MNDO-d and PM7 are used in the electronic part of the calculation to obtain molecular orbitals, the heat of formation and its derivative with respect to molecular geometry.
Using these results MOPAC calculates the vibrational spectra, thermodynamic quantities, isotopic substitution effects and force constants for molecules, radicals, ions, and polymers. For studying chemical reactions, a transition state location routine and two transition state optimizing routines are available. For users to get the most out of the program, they must understand how the program works, how to enter data, how to interpret the results, and what to do when things go wrong.
mopac ile İlgili Diğer Paketler
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- ya da libblas.so.3
- sanal paketi sağlayan libblas3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.34) [i386, riscv64]
- GNU C Library: Shared libraries
ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb
- dep: libc6 (>= 2.35) [amd64]
- dep: libc6 (>= 2.38) [amd64, i386, riscv64 değil]
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- dep: libgcc-s1 (>= 4.0)
- GCC support library
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- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications
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- dep: libgomp1 (>= 4.2.1)
- GCC OpenMP (GOMP) support library
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- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- ya da liblapack.so.3
- sanal paketi sağlayan liblapack3, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
mopac indir
| Mimari | Paket Boyutu | Kurulu Boyut | Dosyalar |
|---|---|---|---|
| amd64 | 1.988,6 kB | 10.096,0 kB | [dosya listesi] |
| arm64 | 1.753,6 kB | 9.366,0 kB | [dosya listesi] |
| armhf | 1.748,4 kB | 8.471,0 kB | [dosya listesi] |
| i386 | 1.813,6 kB | 10.611,0 kB | [dosya listesi] |
| ppc64el | 1.856,9 kB | 10.326,0 kB | [dosya listesi] |
| riscv64 | 2.057,7 kB | 8.940,0 kB | [dosya listesi] |
| s390x | 2.013,3 kB | 10.963,0 kB | [dosya listesi] |